CID 88894421

Dtxsid00889276

Structural Information

Molecular Formula
C8H17NO5
SMILES
CC(CNC(CO)(CO)CO)C(=O)O
InChI
InChI=1S/C8H17NO5/c1-6(7(13)14)2-9-8(3-10,4-11)5-12/h6,9-12H,2-5H2,1H3,(H,13,14)
InChIKey
LAGNRWZEVORTAF-UHFFFAOYSA-N
Compound name
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

207.11067 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11795 146.7
[M+Na]+ 230.09989 150.4
[M-H]- 206.10339 141.1
[M+NH4]+ 225.14449 162.2
[M+K]+ 246.07383 149.4
[M+H-H2O]+ 190.10793 142.0
[M+HCOO]- 252.10887 162.6
[M+CH3COO]- 266.12452 179.6
[M+Na-2H]- 228.08534 149.2
[M]+ 207.11012 144.9
[M]- 207.11122 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe